5611-1998 Screening compound: 3-[(4-chlorophenyl)sulfonyl]-2-imino-8-methyl-1-pentyl-1,2-dihydro-5H-dipyrido[1,2-a:2,3-d]pyrimidin-5-one

5611-1998 Screening compound: 3-[(4-chlorophenyl)sulfonyl]-2-imino-8-methyl-1-pentyl-1,2-dihydro-5H-dipyrido[1,2-a:2,3-d]pyrimidin-5-one
5611-1998 Screening compound: 3-[(4-chlorophenyl)sulfonyl]-2-imino-8-methyl-1-pentyl-1,2-dihydro-5H-dipyrido[1,2-a:2,3-d]pyrimidin-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 5611-1998
3-[(4-chlorophenyl)sulfonyl]-2-imino-8-methyl-1-pentyl-1,2-dihydro-5H-dipyrido[1,2-a:2,3-d]pyrimidin-5-one

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

5611-1998

Molecular Formula

C23H23ClN4O3S (C23 H23 ClN4 O3 S)

Compound Name

3-[(4-chlorophenyl)sulfonyl]-2-imino-8-methyl-1-pentyl-1,2-dihydro-5H-dipyrido[1,2-a:2,3-d]pyrimidin-5-one

IUPAC name

5-(4-chlorobenzenesulfonyl)-6-imino-13-methyl-7-pentyl-179-triazatricyclo[8.4.0.0^{38}]tetradeca-3(8)491113-pentaen-2-one

SMILES

CCCCCN(C(C(S(c(cc1)ccc1Cl)(=O)=O)=C1)=N)C(N=C2N3C=C(C)C=C2)=C1C3=O

InChI

InChI=1S/C23H23ClN4O3S/c1-3-4-5-12-27-21(25)19(32(30,31)17-9-7-16(24)8-10-17)13-18-22(27)26-20-11-6-15(2)14-28(20)23(18)29/h6-11,13-14,25H,3-5,12H2,1-2H3

InChI Key

HVZPISXICYMTIL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03671169

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

470.98

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.253

Distribution Coefficient, logD

4.141

Water Solubility, LogSw

-4.48

Polar Surface Area

74.539

Acid Dissociation Constant (pKa)

28.03

Base Dissociation Constant (pKb)

6.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

References: we are preparing a list of scientific research reports with 5611-1998 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5611-1998?
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What is the minimum amount of 5611-1998 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5611-1998
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5611-1998
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of 5611-1998 available by request